CID 3069603

Brn 5641319

Structural Information

Molecular Formula
C21H27N5O2
SMILES
CC1=CC(=CC=C1)CN2C3CCC2CC(C3)NC(=O)C4=CN=C(N=C4OC)N
InChI
InChI=1S/C21H27N5O2/c1-13-4-3-5-14(8-13)12-26-16-6-7-17(26)10-15(9-16)24-19(27)18-11-23-21(22)25-20(18)28-2/h3-5,8,11,15-17H,6-7,9-10,12H2,1-2H3,(H,24,27)(H2,22,23,25)
InChIKey
HQXKFINLVBRBLF-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-N-[8-[(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.21646 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22374 192.7
[M+Na]+ 404.20568 197.5
[M-H]- 380.20918 197.1
[M+NH4]+ 399.25028 202.7
[M+K]+ 420.17962 192.0
[M+H-H2O]+ 364.21372 181.8
[M+HCOO]- 426.21466 207.5
[M+CH3COO]- 440.23031 200.2
[M+Na-2H]- 402.19113 192.5
[M]+ 381.21591 190.1
[M]- 381.21701 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.